6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

C18H14ClNO2 — CID 4712139

IUPAC6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2C)cc1
InChIInChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17/h3-9H,1-2H3,(H,21,22)
InChIKeySYXLGXCGLDAXDV-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.87
Rot. Bonds2

About 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 4712139) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID4712139
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2C)cc1
InChIInChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17/h3-9H,1-2H3,(H,21,22)
InChIKeySYXLGXCGLDAXDV-UHFFFAOYSA-N
XLogP4.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 4712139) is 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2C)cc1.
What is the InChIKey of 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is SYXLGXCGLDAXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17/h3-9H,1-2H3,(H,21,22).
What are the key properties of 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4712139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).